256 Lattice="13.058770573500656 0.0 0.0 0.0 13.058770573500656 0.0 0.0 0.0 13.058770573500656" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1711.2036464367638 stress="-0.02523668296168748 0.02082675533196666 -0.01852546133055802 0.02082675533196666 -0.0066873421328210525 0.010884081888416264 -0.01852546133055802 0.010884081888416264 0.024142005847712006" free_energy=-1711.2036464367638 pbc="F F F" W 0.03771715 0.00802122 0.01037880 0.69100934 5.87465716 1.01428697 H 1.63019191 1.60414418 0.02814140 -2.17913834 2.95788845 2.39391169 He 1.60984460 0.02811073 1.62892096 -0.03652150 0.22838846 0.11158289 H 0.01575111 1.60139961 1.60120328 2.38211499 1.96877197 -2.93473075 He 3.25643433 0.01663374 0.04367799 -0.05575097 0.02414034 -0.17157412 He 4.88175768 1.63838219 0.02209939 -0.70939401 -0.89181161 -1.99794716 He 4.89098925 0.00337282 1.65235811 0.09284968 -2.09545766 -1.98658572 He 3.30873874 1.62193732 1.65775333 -1.33187384 -1.75886236 -2.82269087 H 6.50782524 0.00832413 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